SCHEMBL337258

SCHEMBL337258

Cc1ccccc1-c1cc(N2CCN3C(=O)CCC3C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.71
CYP3A4 P08684 6/20 0.67
TACR3 P29371 8/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL336790 1.00 TACR1 (0.71) TACR1CYP3A4TACR3
SCHEMBL10181861 1.00 TACR1 (0.71) TACR1CYP3A4TACR3
SCHEMBL337311 0.91 TACR1 (0.75) TACR1CYP3A4TACR3
SCHEMBL337174 0.91 TACR1 (0.75) TACR1CYP3A4TACR3
SCHEMBL336540 0.91 TACR1 (0.75) TACR1CYP3A4TACR3
SCHEMBL10181658 0.91 TACR1 (0.75) TACR1CYP3A4TACR3
SCHEMBL337286 0.86 TACR1 (0.72) TACR1CYP3A4TACR3
SCHEMBL5966371 0.85 TACR1 (0.90) TACR1CYP3A4TACR3
SCHEMBL5966370 0.85 TACR1 (0.90) TACR1CYP3A4TACR3
SCHEMBL1869236 0.84 TACR1 (0.83) TACR1CYP3A4TACR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097618-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2012-01-17 US disclosed
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2011-08-04 US disclosed
EP-2336136-A1 Pyridine derivatives and their use in the treatment of psychotic disorders GlaxoSmithKline LLC (US) 2011-06-22 EP disclosed
US-7919491-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders GLAXOSMITHKLINE LLC (US) 2010-06-17 US disclosed
US-7683056-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2010-03-23 US disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders NDUFB7, NDUFB6, GABRE TACR1 2320/4885CYP3A4 532/4885TACR3 3314/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 TACR1 1788/4885CYP3A4 308/4885TACR3 1889/4885
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders CHRNA7, NR3C2, CHRNA6 TACR1 252/4885CYP3A4 736/4885TACR3 312/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.